1-butyl-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea

Systemtic Name: 1-butyl-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Openeye Name: 1-butyl-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-butyl-3-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-butyl-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-butyl-3-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]urea Formula: C21H34N4O2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C)(C)C

Isomeric SMILES

CCCCNC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H34N4O2/c1-5-6-11-22-20(27)23-17-7-9-18(10-8-17)24-12-14-25(15-13-24)19(26)16-21(2,3)4/h7-10H,5-6,11-16H2,1-4H3,(H2,22,23,27)